![3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid structure](/static/products/7902/790263-58-0.webp)
3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid
TL;DR: 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid (CAS 790263-58-0) is a chemical compound with molecular formula C16H16O2S and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoic acid
Also Known As: 3-{[(2,4-dimethylphenyl)sulfanyl]methyl}benzoic acid, 3-{[(2,4-dimethylphenyl)thio]methyl}benzoic acid, 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoic Acid, 3-([(2,4-Dimethylphenyl)sulfanyl]methyl)benzoic acid, 3-{[(2,4-dimethylphenyl)sulfanyl]methyl}benzoicacid
| Molecular Formula | C16H16O2S |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 4.29394 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0871 |
| Heavy Atoms | 19 |
| Complexity | 605.448 |
Chemical Identifiers
| CAS Number | 790263-58-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SCC2=CC(=CC=C2)C(=O)O)C |
Product Overview
3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid (CAS 790263-58-0), with molecular formula C16H16O2S and molecular weight 272.09 g/mol. IUPAC: 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid
Property Insights of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid
The XLogP value of 4.29394 indicates that 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid?
The CAS number of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid is 790263-58-0.
What is the molecular formula of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid?
The molecular formula of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid is C16H16O2S.
What is the molecular weight of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid?
The molecular weight of 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid is 272.09 g/mol.
Where can I buy 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid?
You can request a quote for 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2,4-Dimethylphenyl)sulfanyl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.